COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL308206
Chemical Name: (2E)-3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one
Smiles: COc1ccc(cc1CSc1nc2c(s1)cccc2)/C=C/C(=O)C12CC3CC(C2)CC(C1)C3

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Molecular Weight: 475.68
Empirical Formula: C28H29NO2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.659
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 92
Number of rings: 7

     

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